2-thiophen-3-ylpropan-1-amine

C7H11NS — CID 54559053

IUPAC2-thiophen-3-ylpropan-1-amine
SMILESCC(CN)c1ccsc1
InChIInChI=1S/C7H11NS/c1-6(4-8)7-2-3-9-5-7/h2-3,5-6H,4,8H2,1H3
InChIKeyZPFUOVZGZSQEQP-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.81
Rot. Bonds2

About 2-thiophen-3-ylpropan-1-amine

2-thiophen-3-ylpropan-1-amine (PubChem CID 54559053) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-thiophen-3-ylpropan-1-amine
PubChem CID54559053
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-thiophen-3-ylpropan-1-amine
SMILESCC(CN)c1ccsc1
InChIInChI=1S/C7H11NS/c1-6(4-8)7-2-3-9-5-7/h2-3,5-6H,4,8H2,1H3
InChIKeyZPFUOVZGZSQEQP-UHFFFAOYSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylpropan-1-amine?
The IUPAC name of 2-thiophen-3-ylpropan-1-amine (CID 54559053) is 2-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 2-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 2-thiophen-3-ylpropan-1-amine is CC(CN)c1ccsc1.
What is the InChIKey of 2-thiophen-3-ylpropan-1-amine?
The InChIKey is ZPFUOVZGZSQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6(4-8)7-2-3-9-5-7/h2-3,5-6H,4,8H2,1H3.
What are the key properties of 2-thiophen-3-ylpropan-1-amine?
2-thiophen-3-ylpropan-1-amine has a molecular weight of 141.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 54559053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).